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3-Bromo-2-chloro-5-nitropyridine
3-Bromo-2-chloro-5-nitropyridine ID: B184516
CAS:5470-17-7
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c1(cnc(c(c1)Br)Cl)[N+](=O)[O-]	
FORMULA: C5H2BrClN2O2
MASS: 237.4386
EXACT MASS: 235.8988170
INTERATOMIC DISTANCES

              C   1      C   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.7440     0.0000 
   N   3    1.2872     0.7433     0.0000 
   C   4    1.4877     1.2896     0.7449     0.0000 
   C   5    1.2856     1.4881     1.2903     0.7472     0.0000 
   C   6    0.7408     1.2868     1.4863     1.2891     0.7419     0.0000 
  Br   7    1.9643     2.2310     1.9693     1.2903     0.7429     1.2866 
  Cl   8    2.2305     1.9688     1.2899     0.7428     1.2909     1.9677 
   N   9    0.7428     1.2867     1.9655     2.2305     1.9639     1.2848 
   O  10    1.2886     1.9680     2.5758     2.6821     2.2276     1.4857 
   O  11    1.2877     1.4858     2.2291     2.6811     2.5733     1.9643 

             Br   7     Cl   8      N   9      O  10      O  11
              -------------------------------------------------------
  Br   7    0.0000 
  Cl   8    1.4905     0.0000 
   N   9    2.5714     2.9733     0.0000 
   O  10    2.6761     3.4075     0.7452     0.0000 
   O  11    3.2376     3.4072     0.7435     1.2888     0.0000 



ATOMIC CHARGES
   C   1    0.3095600757
   C   2    0.1748922145
   N   3   -0.2255123899
   C   4    0.1449020883
   C   5    0.0691207387
   C   6    0.0860191933
  Br   7   -0.0463185949
  Cl   8   -0.0608049498
   N   9    0.0825745251
   O  10   -0.5759659342
   O  11    0.0415330333


BOND ANGLES
   2    1    9  Car  Car  Ntr    119.852
   2    1    6  Car  Car  Car    120.149
   6    1    9  Car  Car  Ntr    119.998
   1    2    3  Car  Car  Nar    119.874
   2    3    4  Car  Nar  Car    120.117
   3    4    8  Nar  Car   Cl    120.229
   3    4    5  Nar  Car  Car    119.702
   5    4    8  Car  Car   Cl    120.070
   4    5    7  Car  Car   Br    119.970
   6    5    7  Car  Car   Br    120.115
   4    5    6  Car  Car  Car    119.915
   1    6    5  Car  Car  Car    120.243
   1    9   10  Car  Ntr   O-    119.991
   1    9   11  Car  Ntr   O2    120.077
  10    9   11   O-  Ntr   O2    119.932


TORSION ANGLES
   9    1    2    3    179.974
   6    1    2    3      0.026
   2    1    9   10    179.974
   2    1    9   11      0.026
   6    1    9   10      0.026
   6    1    9   11    179.974
   2    3    4    8    179.974
   2    3    4    5      0.026
   3    4    5    7    179.974
   3    4    5    6      0.026
   8    4    5    7      0.026
   8    4    5    6    179.974
   1    2    3    4      0.026
   7    5    6    1    179.974
   4    5    6    1      0.026
   5    6    1    2      0.026
   5    6    1    9    179.974